SCHEMBL20021862

SCHEMBL20021862

CCc1cccc(CC)c1N(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
TP53 P04637 3/20 0.34
CLCN2 P51788 1/20 0.33
MAOA P21397 1/20 0.33
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MGLL Q99685 1/20 0.32
NR1I2 O75469 1/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18926383 0.90 ALDH1A1 (0.40) GABRA1GABRB2TP53TDP1TSHR
SCHEMBL18789376 0.83 GABRA1 (0.39) GABRA1GABRB2TP53CLCN2MAOA
SCHEMBL20125798 0.78 PTPN1 (0.31)
SCHEMBL18661329 0.77 ALDH1A1 (0.40) GABRA1GABRB2TP53TDP1TSHR
SCHEMBL2574194 0.71 MEN1 (0.42) TDP1ALOX15TSHRALDH1A1MGLL
SCHEMBL60489 0.71 GABRA1 (0.50) GABRA1GABRB2TP53CYP2C19TDP1
SCHEMBL7883713 0.70 GABRA1 (0.44) GABRA1GABRB2TP53CLCN2CYP2C19
Hydrochloric Acid SCHEMBL2859480 0.69 GABRA1 (0.48) GABRA1GABRB2TP53CYP2C19TDP1
SCHEMBL18926384 0.68 ALDH1A1 (0.38) CYP2C19TDP1TSHRALDH1A1KDM4E
SCHEMBL18789374 0.68 PLA2G2A (0.33) TP53TDP1ALDH1A1KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094085-A1 CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION REACTION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME LG CHEM, LTD. (KR) 2018-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180094085-A1 CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION REACTION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME COG7, OSTC, OXER1 GABRA1 2819/4885GABRB2 2723/4885TP53 3253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.